SCHEMBL10952018

SCHEMBL10952018

Cc1c(C(=O)O)sc2cc(CCc3ncc[nH]3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.53
GPR35 Q9HC97 1/20 0.42
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 2/20 0.40
TAAR1 Q96RJ0 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
BCL2 P10415 1/20 0.35
BAD Q92934 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRNP P04156 1/20 0.33
BCKDK O14874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10955250 0.91 TBXAS1 (0.55) TBXAS1GPR35MCL1BCL2L1TAAR1
SCHEMBL11287291 0.81 TBXAS1 (0.55) TBXAS1GPR35TAAR1RXFP1PKM
SCHEMBL10956131 0.81 TAAR1 (0.36) TBXAS1TAAR1
SCHEMBL10953013 0.79 TBXAS1 (0.42) TBXAS1TAAR1NPSR1MAPTSMN1; SMN2
SCHEMBL10952974 0.75 TBXAS1 (0.60) TBXAS1GPR35MCL1BCL2L1BCL2
SCHEMBL31207832 0.73 TBXAS1 (0.58) TBXAS1GPR35MCL1BCL2L1BCL2
SCHEMBL10855300 0.71 TBXAS1 (0.54) TBXAS1TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL15619574 0.71 MCL1 (0.71) TBXAS1GPR35MCL1BCL2L1RXFP1
SCHEMBL10953675 0.70 TBXAS1 (0.57) TBXAS1GPR35PKMNPSR1NPC1
SCHEMBL10953653 0.70 ROCK1 (0.45) TBXAS1TAAR1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP disclosed